On Tuesday 24 May 2005 08:03, zhanglijun wrote: > How about q is not equal to 0? > Is the program "dynmat.x" appropriate?
it might actually work for q!=0 as well (no warranty that it does). Of course, you have to supply the dynamical matrix for the desired q and not to impose acoustic sum rule. P. -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
